IFLab1_004344
TL;DR: IFLab1_004344 (CAS 385389-82-2) is a chemical compound with molecular formula C18H19N5OS2 and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
Also Known As: IFLab1_004344, IDI1_010099, 2-(4-amino(5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))-N-(2-pyridylmethyl)acetamide, 2-((4-amino-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-ylmethyl)acetamide, 2-({3-amino-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-5-yl}sulfanyl)-N-(pyridin-2-ylmethyl)acetamide
| Molecular Formula | C18H19N5OS2 |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 2.9558 |
| Topological Polar Surface Area | 93.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.1031 |
| Heavy Atoms | 26 |
| Complexity | 941.6545 |
Chemical Identifiers
| CAS Number | 385389-82-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC(=O)NCC4=CC=CC=N4)N |
Product Overview
IFLab1_004344 (CAS 385389-82-2), with molecular formula C18H19N5OS2 and molecular weight 385.10 g/mol. IUPAC: 2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
Chemical Property Profile of IFLab1_004344
Property Insights of IFLab1_004344
The XLogP value of 2.9558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004344. The TPSA of 93.79 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004344. Following Lipinski's Rule of Five, IFLab1_004344 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_004344?
The CAS number of IFLab1_004344 is 385389-82-2.
What is the molecular formula of IFLab1_004344?
The molecular formula of IFLab1_004344 is C18H19N5OS2.
What is the molecular weight of IFLab1_004344?
The molecular weight of IFLab1_004344 is 385.10 g/mol.
Where can I buy IFLab1_004344?
You can request a quote for IFLab1_004344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004344?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.